methyl 3-[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanoylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[1-oxo-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C15H20N4O3S2 MolecularWeight: 368.4743

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)NC(CC(=O)OC)C2=CC=CS2

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)NC(CC(=O)OC)C2=CC=CS2

InChI

InChI=1S/C15H20N4O3S2/c1-3-5-12-17-18-15(23)19(12)9-13(20)16-10(8-14(21)22-2)11-6-4-7-24-11/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,16,20)(H,18,23)